echo both units real atom_style atomic variable L equal 12 variable l2 equal 6 variable l equal 4 variable w equal 2 lattice fcc 5.405 origin 0.25 0.25 0.25 region mdInternal block -$l $l -$l $l -$w $w boundary f f f # p pair_style lj/cut 13.5 read_data temp.init fix ZWALLS all wall/reflect zlo EDGE zhi EDGE mass 1 39.95 pair_coeff 1 1 .238 3.405 13.5 group internal region mdInternal fix AtC internal atc two_temperature Ar_ttm.mat fix_modify AtC mesh read gaussianIC2d_hex27_uniform.mesh fix_modify AtC output gaussianIC2d_hex27_uniformFE 10 full_text fix_modify AtC initial temperature all 20.0 # NOTE this is only gaussian in x fix_modify AtC initial electron_temperature all gaussian 0 0 0 1 0 0 5 20 20 fix_modify AtC fix temperature 11 20.0 fix_modify AtC fix temperature 12 20.0 fix_modify AtC control thermal flux fix_modify AtC extrinsic exchange on fix_modify AtC extrinsic electron_integration explicit 10 thermo_style custom step temp pe f_AtC[2] f_AtC[4] timestep 1.0 thermo 10 run 100